| Formula |
C18H13ClFN3O2 |
| IUPAC Name |
3-[(3r)-7-chloro-5-(2-fluorophenyl)-3-hydroxy-2-oxo-3h-1,4-benzodiazepin-1-yl]propanenitrile |
| Molecular Mass |
357.766 g·mol−1 |
| Heat of Formation |
-162.7 ± 16.7 kJ·mol−1 |
| Dipole Moment |
6.13 ± 1.08 D |
| Volume |
392.57 Å 3 |
| Surface Area |
320.7 Å 2 |
| HOMO Energy |
-9.52 ± 0.55 eV |
| LUMO Energy |
-1.21 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
XAXMYHMKTCNRRZ-QGZVFWFLSA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
C
F
H
Cl
O
N
|
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